[
  {
    "molid": "mol7646",
    "smiles": "CSC(=N)c1nnn(C)c1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CSC(=N)c1nnn(C)c1N",
        "std_free_energy": -6.418315887451172,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CSC(=[N-])c1nnn(C)c1N",
        "std_free_energy": -1.5290179252624512,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.47,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]